SCHEMBL8017176

SCHEMBL8017176

CC(C)N(CC(O)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.59
ACE P12821 12/20 0.59
ACE2 Q9BYF1 9/20 0.50
CPA1 P15085 8/20 0.50
ITGB3 P05106 2/20 0.46
ITGAV P06756 1/20 0.46
GPR34 Q9UPC5 2/20 0.45
CTSB P07858 1/20 0.44
ITGA2B P08514 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8017182 1.00 MME (0.59) MMEACEACE2CPA1ITGB3
SCHEMBL27464097 0.95 ACE (0.52) MMEACEACE2CPA1CTSB
SCHEMBL8016973 0.92 MME (0.53) MMEACEACE2CPA1ITGB3
SCHEMBL8027402 0.89 ACE (0.48) MMEACEACE2CPA1ITGB3
SCHEMBL8026903 0.89 MME (0.73) MMEACEACE2CPA1
SCHEMBL8026904 0.89 MME (0.73) MMEACEACE2CPA1
SCHEMBL8030684 0.88 MME (0.62) MMEACEACE2CPA1CTSB
SCHEMBL8028772 0.87 MME (0.58) MMEACEACE2CPA1ITGB3
SCHEMBL8028768 0.87 MME (0.58) MMEACEACE2CPA1ITGB3
SCHEMBL8017258 0.87 MME (0.52) MMEACEACE2CPA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738711-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2000-03-08 EP disclosed
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 EP disclosed